Radiation Effects in Solids PDF
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Radiation Effects in Solids NATO Science Series ASeries presenting the results of scientific meetings supported under the NATO Science Programme. The Series is published by IOS Press, Amsterdam, and Springer in conjunction with the NATO Public Diplomacy Division Sub-Series I. Life and Behavioural Sciences IOS Press II. Mathematics, Physics and Chemistry Springer III.Computer and Systems Science IOS Press IV.Earth and Environmental Sciences Springer The NATO Science Series continues the series of books published formerly as the NATO ASI Series. The NATO Science Programme offers support for collaboration in civil science between scientists of countries of the Euro-Atlantic Partnership Council. The types of scientific meeting generally supported are “Advanced Study Institutes” and “Advanced Research Workshops”, and the NATO Science Series collects together the results of these meetings. The meetings are co-organized bij scientists from NATO countries and scientists from NATO’s Partner countries – countries of the CIS and Central and Eastern Europe. Advanced Study Institutes are high-level tutorial courses offering in-depth study of latest advances in a field. Advanced Research Workshops are expert meetings aimed at critical assessment of a field, and identification of directions for future action. As a consequence of the restructuring of the NATO Science Programme in 1999, the NATO Science Series was re-organised to the four sub-series noted above. Please consult the following web sites for information on previous volumes published in the Series. http://www.nato.int/science http://www.springer.com http://www.iospress.nl Series II: Mathematics, Physics and Chemistry – Vol. 235 Radiation Effects in Solids edited by Kurt E. Sickafus Los Alamos National Laboratory, Materials Science & Technology Division, Los Alamos, NM, U.S.A. Eugene A. Kotomin European Commission, Joint Research Center, Institute for Transuranium Elements, Karlsruhe, Germany and Blas P. Uberuaga Los Alamos National Laboratory, Materials Science & Technology Division, Los Alamos, NM, U.S.A. Published in cooperation with NATO Public Diplomacy Division Proceedings of the NATO Advanced Study Institute on Radiation Effects in Solids Erice, Sicily, Italy 17--29 July 2004 AC.I.P. Catalogue record for this book is available from the Library of Congress. ISBN-10 1-4020-5294-4 (PB) ISBN-13 978-1-4020-5294-1 (PB) ISBN-10 1-4020-5293-6 (HB) ISBN-13 978-1-4020-5293-4 (HB) ISBN-10 1-4020-5295-2 (e-book) ISBN-13 978-1-4020-5295-8 (e-book) Published by Springer, P.O. Box 17, 3300 AADordrecht, The Netherlands. www.springer.com Printed on acid-free paper - All Rights Reserved © 2007 Springer No part of this work may be reproduced, stored in a retrieval system, or transmitted in any form or by any means, electronic, mechanical, photocopying, microfilming, recording or otherwise, without written permission from the Publisher, with the exception of any material supplied specifically for the purpose of being entered and executed on a computer system, for exclusive use by the purchaser of the work. TABLE OF CONTENTS Preface.........................................................................................................vii 1. Introduction to the Kinetic Monte Carlo Method Arthur F. Voter..........................................................................................1 2. Accelerated Molecular Dynamics Methods Blas P. Uberuaga and Arthur F. Voter..................................................25 3. Radiation Induced Structural Changes Through in-situ Tem Observations Chiken Kinoshita....................................................................................45 4. Radiation Damage from Different Particle Types Gary S. Was and Todd R. Allen..............................................................65 5. High Dose Radiation Effects in Steels Todd R. Allen..........................................................................................99 6. Radiation-Enhanced Diffusion and Radiation-Induced Segregation Todd R. Allen and Gary S. Was..........................................................123 7. The Kinetics of Radiation-Induced Point Defect Aggregation and Metallic Colloid Formation in Ionic Solids Eugene A. Kotomin and Anatoly I. Popov............................................153 8. Microstructural Evolution of Irradiated Ceramics Chiken Kinoshita........................................................................193 9. Optical & Scintillation Properties of Nonmetals: Inorganic Scintillators for Radiation Detectors Vladimir N. Makhov.............................................................................233 10. Radiation-Induced Phase Transitions Paolo M. Ossi......................................................................................259 v vi Table of Contents 11. Introduction to Mathematical Models for Irradiation-Induced Phase Transformations Kurt E. Sickafus..................................................................................321 12. Amorphous Systems and Amorphization Harry Bernas.....................................................................................353 13. Ion Beam Mixing Michael Nastasi and James W. Mayer................................................387 14. Radiation Effects in Nuclear Fuels Hans Matzke.......................................................................................401 15. Role of Irradiation in Stress Corrosion Cracking Gary S. Was........................................................................................421 16. Ion Beam Synthesis and Tailoring Of Nanostructures Harry Bernas and Roch Espiau de Lamaestre....................................449 17. Residual Stress Evolution During Energetic Particle Bombardment of Thin Films Amit Misra and Michael Nastasi........................................................487 18. Perovskite-Based Colossal Magnetoresistance Materials and their Irradiation Studies: A Review Ravi Kumar, Ram Janay Choudhary, a nd Shankar I. Patil..............535 19. Exposure of Bone To Ionizing Radiation Leszek Kubisz.....................................................................................575 Index..........................................................................................................589 PREFACE This book contains proceedings of the NATO Advanced Study Institute (ASI): The 32nd Course of the International School of Solid State Physics entitled Radiation Effects in Solids, held in Erice, Sicily, Italy, July 17-29, 2004, at the Ettore Majorana Centre for Scientific Culture (EMCSC). The Course had 83 participants (68 students and 15 instructors) representing 23 countries. The purpose of this Course was to provide ASI students with a comprehensive overview of fundamental principles and relevant technical issues associated with the behavior of solids exposed to high-energy radiation. These issues are important to the development of materials for existing fission reactors or future fusion and advanced reactors for energy production; to the development of electronic devices such as high-energy detectors; and to the development of novel materials for electronic and photonic applications (particularly on the nanoscale). The Course covered a broad range of topics, falling into three general categories: Radiation Damage Fundamentals Energetic particles and energy dissipation Atomic displacements and cascades Damage evolution Defect aggregation Microstructural evolution Material Dependent Radiation Damage Phenomena (metals, alloys, semiconductors, intermetallics, ceramics, polymers, biomaterials) Atomic and microstructural effects (e.g., point defects, color centers, extended defects, dislocations, voids, bubbles, colloids, phase transformations, amorphization) Macroscopic phenomena (e.g., swelling, embrittlement, cracking, thermal conductivity degradation) vii viii Preface Special Topics Swift ion irradiation effects Ion beam modification of materials Nanostructure design via irradiation Nuclear fuels and waste forms Radiation detectors, dosimeters, phosphors, luminescent materials, etc. Solar and galactic cosmic particles Irradiation effects in bone The Course served to demonstrate the crucial interplay between experimental and theoretical investigations of radiation damage phenomena. The Course explored computer simulation methods for the examination of radiation effects, ranging from molecular dynamics (MD) simulations of events occurring on short timescales (ps – ns), to methods such as kinetic Monte Carlo and kinetic rate theory, which consider damage evolution over times ranging from µs to hours beyond the initial damage event. The Course also examined the plethora of experimental techniques used to assess radiation damage accumulation in solids, including transmission electron microscopy, ion channeling, nanoindentation, and positron annihilation, to name only a few techniques. Two international schools on radiation damage effects preceded this one: (1) Radiation Damage in Solids – The XVIII Course of the International School of Physics << Enrico Fermi >>, September 5 – 24, 1960, Centro di Studi Nucleari di Ispra del Comitato Nazionale per L’Energia Nucleare, Ispra (Varese) ITALY1; and (2) Fundamentals of Radiation Damage – an International Summer School on the Fundamentals of Radiation Damage, August 1 – 12, 1993, University of Illinois, Urbana, Illinois, USA.2 These proceedings are organized loosely as follows: state-of- the-art computational procedures for simulating radiation damage effects in solids are reviewed in Chapters 1 & 2; in-situ transmission electron microscopy (TEM) observations of radiation damage effects 1 D. S. Billington and S. i. d. fisica, Eds., Radiation Damage in Solids: International School of Physics "Enrico Fermi" (1960; Varenna, Italy, (Academic Press, New York, 1962). 2 Fundamentals of Radiation Damage, edited by I. M. A. Robertson, R. S., Tappin, D. K. Rehn, L. E., published in Journal of Nuclear Materials, Vol. 216, pp. 1 – 368 (1994). Preface ix are described in Chapter 3; different particle types and their effects are described in Chapter 4; radiation effects in metals are described in Chapters 5 & 6; radiation effects in ceramics and ionic compounds are discussed in Chapters 7 – 9; phase transformations induced by radiation are described in Chapters 10 – 12; and finally, selected spe- cial topics on radiation damage effects are covered in Chapters 13 – 19. We, the Editors of this proceedings, wish to acknowledge the NATO Science Committee who helped to make this Course a success. Committee members included: Kurt Sickafus (Los Alamos National Laboratory); Eugene Kotomin (formerly University of Latvia; presently Institute for Transuranium Elements (ITU)); Steven Zinkle (Oak Ridge National Laboratory); Christina Trautmann Gesellschaft für Schwerionenforschung (GSI); and Giorgio Benedek (Università di Milano-Bicocca). [G. Benedek is also the Director of the International School of Solid State Physics.] We’d especially like to thank all of the authors for the many hours they spent preparing their contributions to these proceedings. We are also indebted to Susan Rhyne, Ishwari Sollohub, and James Valdez for their editing assistance in finalizing the manuscripts for this publication. We hope you enjoy this volume. Kurt E. Sickafus Eugene A. Kotomin Blas P. Uberuaga May, 2006 Chapter 1 INTRODUCTION TO THE KINETIC MONTE CARLO METHOD ArthurF.Voter LosAlamosNationalLaboratory,LosAlamos,NM87545USA 1 INTRODUCTION Monte Carlo refers to a broad class of algorithms that solve problems through the use of random numbers. They first emerged in the late 1940’s and 1950’s as electronic computers came into use [1], and the name means just what it sounds like, whimsically referring to the random nature of the gambling at Monte Carlo, Monaco. The most famous of the Monte Carlo methods is the Metropolis algo- rithm [2], invented just over 50 years ago at Los Alamos National Laboratory. MetropolisMonteCarlo(whichisnotthesubjectofthischapter)offersanelegant and powerful way to generate a sampling of geometries appropriate for a desired physicalensemble,suchasathermalensemble.Thisisaccomplishedthroughsur- prisingly simple rules, involving almost nothing more than moving one atom at a timebyasmallrandomdisplacement.TheMetropolisalgorithmandthenumerous methodsbuiltonitareattheheartofmany,ifnotmost,ofthesimulationsstudies ofequilibriumpropertiesofphysicalsystems. Inthe1960’sresearchersbegantodevelopadifferentkindofMonteCarloalgo- rithmforevolvingsystemsdynamicallyfromstatetostate.Theearliestapplication ofthisapproachforanatomisticsystemmayhavebeenBeeler’s1966simulationof radiation damage annealing [3]. Over the next 20 years, there were developments andapplicationsinthisarea(e.g.,see[3–7]),aswellasinsurfaceadsorption,dif- fusion and growth (e.g., see [8–17]), in statistical physics (e.g., see [18–20]), and likelyotherareas,too.Inthe1990’stheterminologyforthisapproachsettledinas kineticMonteCarlo,thoughtheearlypaperstypicallydon’tusethisterm[21].The popularityandrangeofapplicationsofkineticMonteCarlo(KMC)hascontinued togrowandKMCisnowacommontoolforstudyingmaterialssubjecttoirradia- tion,thetopicofthisbook.Thepurposeofthischapteristoprovideanintroduction tothisKMCmethod,bytakingthereaderthroughthebasicconceptsunderpinning KMCandhowitistypicallyimplemented,assumingnopriorknowledgeofthese kinds of simulations. An appealing property of KMC is that it can, in principle, give the exact dynamical evolution of a system. Although this ideal is virtually 1 K.E. Sickafus et al. (eds.), Radiation Effects in Solids,1–23. © 2007 Springer.
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